Tuning phase stability and short-range order through Al doping in high-entropy alloys
Abstract
For high-entropy alloys, we report on the phase evolution with increasing Al content ( 0 ≤ x ≤ 20 at.%). From first-principles theory, aluminum doping drives the alloy structurally from fcc to bcc separated by a narrow two-phase region (fcc+bcc), which is well supported by our experiments. Using KKR-CPA electronic-structure calculations, we highlight the effect of Al doping on the formation enthalpy (alloy stability) and electronic dispersion of alloys. As chemical short-range order indicates the nascent local order, and entropy changes, as well as expected low-temperature ordering behavior, we use KKR-CPA-based thermodynamic linear response to predict the chemical ordering behavior of arbitrary complex solid-solution alloys—an ideal approach for predictive design of high-entropy alloys. The predictions confirm our present experimental findings and other reported ones.
- Authors:
-
- Ames Lab., Ames, IA (United States)
- RWTH Aachen Univ. (Germany)
- Lehigh Univ., Bethlehem, PA (United States)
- RWTH Aachen Univ. (Germany); Indian Inst. of Technology (IIT), Madras (India)
- Ames Lab. and Iowa State Univ., Ames, IA (United States)
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1542874
- Alternate Identifier(s):
- OSTI ID: 1546452
- Report Number(s):
- IS-J-9970
Journal ID: ISSN 2475-9953; PRMHAR
- Grant/Contract Number:
- AC02-07CH11358; N00014-16-1-2548
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Volume: 3; Journal Issue: 7; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Singh, Prashant, Marshal, Amalraj, Smirnov, A. V., Sharma, Aayush, Balasubramanian, Ganesh, Pradeep, K. G., and Johnson, Duane D. Tuning phase stability and short-range order through Al doping in (CoCrFeMn)100-xAlx high-entropy alloys. United States: N. p., 2019.
Web. doi:10.1103/PhysRevMaterials.3.075002.
Singh, Prashant, Marshal, Amalraj, Smirnov, A. V., Sharma, Aayush, Balasubramanian, Ganesh, Pradeep, K. G., & Johnson, Duane D. Tuning phase stability and short-range order through Al doping in (CoCrFeMn)100-xAlx high-entropy alloys. United States. https://doi.org/10.1103/PhysRevMaterials.3.075002
Singh, Prashant, Marshal, Amalraj, Smirnov, A. V., Sharma, Aayush, Balasubramanian, Ganesh, Pradeep, K. G., and Johnson, Duane D. Mon .
"Tuning phase stability and short-range order through Al doping in (CoCrFeMn)100-xAlx high-entropy alloys". United States. https://doi.org/10.1103/PhysRevMaterials.3.075002. https://www.osti.gov/servlets/purl/1542874.
@article{osti_1542874,
title = {Tuning phase stability and short-range order through Al doping in (CoCrFeMn)100-xAlx high-entropy alloys},
author = {Singh, Prashant and Marshal, Amalraj and Smirnov, A. V. and Sharma, Aayush and Balasubramanian, Ganesh and Pradeep, K. G. and Johnson, Duane D.},
abstractNote = {For(CoCrFeMn)100-xAlx high-entropy alloys, we report on the phase evolution with increasing Al content ( 0 ≤ x ≤ 20 at.%). From first-principles theory, aluminum doping drives the alloy structurally from fcc to bcc separated by a narrow two-phase region (fcc+bcc), which is well supported by our experiments. Using KKR-CPA electronic-structure calculations, we highlight the effect of Al doping on the formation enthalpy (alloy stability) and electronic dispersion of (CoCrFeMn)100-xAlx alloys. As chemical short-range order indicates the nascent local order, and entropy changes, as well as expected low-temperature ordering behavior, we use KKR-CPA-based thermodynamic linear response to predict the chemical ordering behavior of arbitrary complex solid-solution alloys—an ideal approach for predictive design of high-entropy alloys. The predictions confirm our present experimental findings and other reported ones.},
doi = {10.1103/PhysRevMaterials.3.075002},
journal = {Physical Review Materials},
number = 7,
volume = 3,
place = {United States},
year = {2019},
month = {7}
}
Web of Science
Figures / Tables:

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Effect of Solution Treatment on the Shape Memory Functions of (TiZrHf)50Ni25Co10Cu15 High Entropy Shape Memory Alloy
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